SCHEMBL8656106

SCHEMBL8656106

CC(=O)NC[C@H]1C=C(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.58
MAOB P27338 6/20 0.58
CYP2C19 P33261 1/20 0.49
PTGS1 P23219 2/20 0.46
SDHA P31040 2/20 0.46
LMNA P02545 1/20 0.46
CALML3 P27482 1/20 0.46
F10 P00742 5/20 0.45
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8656064 0.89 MAOB (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8641554 0.89 MAOA (0.46) MAOAMAOBCYP2C19PTGS1SDHA
SCHEMBL8657837 0.89 MAOB (0.46) MAOAMAOBCYP2C19PTGS1SDHA
SCHEMBL8656846 0.88 MAOA (0.45) MAOAMAOBCYP2C19PTGS1SDHA
SCHEMBL8655743 0.86 MAOA (0.44) MAOAMAOBCYP2C19PTGS1SDHA
SCHEMBL8660603 0.86 MAOA (0.44) MAOAMAOBCYP2C19PTGS1SDHA
SCHEMBL8654289 0.86 LMNA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8654163 0.86 F10 (0.44) MAOAMAOBCYP2C19PTGS1SDHA
SCHEMBL8642618 0.86 F10 (0.44) MAOAMAOBCYP2C19PTGS1SDHA
SCHEMBL8656769 0.86 MAOA (0.44) MAOAMAOBCYP2C19PTGS1SDHA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858453-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 1998-08-19 EP claimed
WO-1997014690-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZENECA LIMITED (GB) 1997-04-24 WO claimed
EP-0858453-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 1998-08-19 EP disclosed
WO-1997014690-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZENECA LIMITED (GB) 1997-04-24 WO disclosed